Details of the Drug

General Information of Drug (ID: DM9VDZP)

Drug Name
CGP-53353
Synonyms
145915-60-2; CGP 53353; CGP-53353; DAPH 2; DAPH-7; CGP53353; PKCbetaII/EGFR Inhibitor; 5,6-BIS[(4-FLUOROPHENYL)AMINO]-1H-ISOINDOLE-1,3(2H)-DIONE; CHEMBL7939; CGP 53 353; 4,5-bis(4-Fluoroanilino)-phthalimide; CG53353; 5,6-Bis((4-fluorophenyl)amino)isoindoline-1,3-dione; 5,6-Bis[(4-fluorophenyl)amino]-2H-isoindole-1,3-dione; 4,5-Bis(4-fluoroanilino)phthalimide; 4,5-Bis[4-fluoroanilino]phthalimide; PKCbII/EGFR Inhibitor; AC1O8KXF; 5,6-bis(4-fluoroanilino)isoindole-1,3-dione; MolMap_000016; DAPH-2; CGP-53353, solid; SCHEMBL230492
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 365.3
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C20H13F2N3O2
IUPAC Name
5,6-bis(4-fluoroanilino)isoindole-1,3-dione
Canonical SMILES
C1=CC(=CC=C1NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=CC=C(C=C4)F)F
InChI
InChI=1S/C20H13F2N3O2/c21-11-1-5-13(6-2-11)23-17-9-15-16(20(27)25-19(15)26)10-18(17)24-14-7-3-12(22)4-8-14/h1-10,23-24H,(H,25,26,27)
InChIKey
RONQPWQYDRPRGG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6711154
ChEBI ID
CHEMBL7939
CAS Number
145915-60-2
TTD ID
D0HO1S
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Epidermal growth factor receptor (EGFR) TTGKNB4 EGFR_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Epidermal growth factor receptor (EGFR) DTT EGFR 2.09E-05 0.4 190.08
Epidermal growth factor receptor (EGFR) DTT EGFR 6.32E-04 0.39 1.69
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Dianilinophthalimides: potent and selective, ATP-competitive inhibitors of the EGF-receptor protein tyrosine kinase. J Med Chem. 1994 Apr 1;37(7):1015-27.